Novel GPU Engines for Virtual Screening of Giga-Sized Libraries Identify Inhibitors of Challenging Targets

Eugene Raush, Maxim Totrov, Cody L. Hoop, Kevin M. Knowlan, Remington Bianchi, Nadya I. Tarasova. Novel GPU Engines for Virtual Screening of Giga-Sized Libraries Identify Inhibitors of Challenging Targets. Journal of Chemical Information and Computer Sciences, 65(19):10253-10268, 2025. [doi]

Abstract

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